acetyl}amino)benzoic acid structure](/static/products/516/51680-01-4.png)
2-({[(4-Nitrophenyl)amino](oxo)acetyl}amino)benzoic acid
TL;DR: 2-({[(4-Nitrophenyl)amino](oxo)acetyl}amino)benzoic acid (CAS 51680-01-4) is a chemical compound with molecular formula C15H11N3O6 and molecular weight 329.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-nitroanilino)-2-oxoacetyl]amino]benzoic acid
Also Known As: 2-[[2-(4-nitroanilino)-2-oxoacetyl]amino]benzoic acid, 2-[[(4-nitrophenyl)carbamoylformyl]amino]benzoic Acid, 2-({[(4-nitrophenyl)amino](oxo)acetyl}amino)benzoic acid, 2-(2-((4-nitrophenyl)amino)-2-oxoacetamido)benzoic acid
| Molecular Formula | C15H11N3O6 |
|---|---|
| Molecular Weight | 329.06 g/mol |
| LogP | 1.8702 |
| Topological Polar Surface Area | 138.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.0648 |
| Heavy Atoms | 24 |
| Complexity | 816.21405 |
Chemical Identifiers
| CAS Number | 51680-01-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-({[(4-Nitrophenyl)amino](oxo)acetyl}amino)benzoic acid (CAS 51680-01-4), with molecular formula C15H11N3O6 and molecular weight 329.06 g/mol. IUPAC: 2-[[2-(4-nitroanilino)-2-oxoacetyl]amino]benzoic acid.
Chemical Property Profile of 2-({[(4-Nitrophenyl)amino](oxo)acetyl}amino)benzoic acid
Property Insights of 2-({[(4-Nitrophenyl)amino](oxo)acetyl}amino)benzoic acid
The XLogP value of 1.8702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[(4-Nitrophenyl)amino](oxo)acetyl}amino)benzoic acid. The TPSA of 138.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[(4-Nitrophenyl)amino](oxo)acetyl}amino)benzoic acid. Following Lipinski's Rule of Five, 2-({[(4-Nitrophenyl)amino](oxo)acetyl}amino)benzoic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-({[(4-Nitrophenyl)amino](oxo)acetyl}amino)benzoic acid?
The CAS number of 2-({[(4-Nitrophenyl)amino](oxo)acetyl}amino)benzoic acid is 51680-01-4.
What is the molecular formula of 2-({[(4-Nitrophenyl)amino](oxo)acetyl}amino)benzoic acid?
The molecular formula of 2-({[(4-Nitrophenyl)amino](oxo)acetyl}amino)benzoic acid is C15H11N3O6.
What is the molecular weight of 2-({[(4-Nitrophenyl)amino](oxo)acetyl}amino)benzoic acid?
The molecular weight of 2-({[(4-Nitrophenyl)amino](oxo)acetyl}amino)benzoic acid is 329.06 g/mol.
Where can I buy 2-({[(4-Nitrophenyl)amino](oxo)acetyl}amino)benzoic acid?
You can request a quote for 2-({[(4-Nitrophenyl)amino](oxo)acetyl}amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[(4-Nitrophenyl)amino](oxo)acetyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(4-Nitrophenyl)amino](oxo)acetyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.